2-(5,5-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]isoquinolin-4-yl)-1-phenyl-ethanone

Systemtic Name: 2-(5,5-dimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]isoquinolin-4-yl)-1-phenyl-ethanone Openeye Name: 2-(5,5-dimethyl-1-thioxo-dithiolo[3,4-c]isoquinolin-4-yl)-1-phenyl-ethanone CAS Name: 2-(5,5-dimethyl-1-sulfanylidene-4-dithiolo[3,4-c]isoquinolinyl)-1-phenylethanone IUPAC Name: 2-(5,5-dimethyl-1-sulfanylidenedithiolo[3,4-c]isoquinolin-4-yl)-1-phenylethanone Traditional Name: 2-(5,5-dimethyl-1-thioxo-dithiol[3,4-c]isoquinolin-4-yl)-1-phenyl-ethanone Formula: C20H17NOS3 MolecularWeight: 383.55008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C3=C(N1CC(=O)C4=CC=CC=C4)SSC3=S)C

Isomeric SMILES

CC1(C2=CC=CC=C2C3=C(N1CC(=O)C4=CC=CC=C4)SSC3=S)C

InChI

InChI=1S/C20H17NOS3/c1-20(2)15-11-7-6-10-14(15)17-18(24-25-19(17)23)21(20)12-16(22)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3